smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c(C[NH+]2CCCC2)n(-c2ccccc2)c2cc(Br)c(O)c(C[NH+](C)C)c21	ZINC000005225579	552495855	/nfs/dbraw/zinc/49/58/55/552495855.db2.gz	WHSFMAIPFLJFDR-UHFFFAOYSA-N	2	2	500.437	4.933	50	10	biogenic	KJCALP
COc1ccc(N2CC[NH+](CCCNC(=O)C3CCN(c4[nH+]c5ccccc5n4Cc4ccc(F)cc4)CC3)CC2)cc1	ZINC000033356683	553943607	/nfs/dbraw/zinc/94/36/07/553943607.db2.gz	UASDNIHNKFAQQN-UHFFFAOYSA-N	2	2	584.740	4.777	50	10		KJCALP
Oc1c(C[NH+]2CCN(c3ccccc3)CC2)cc(Br)cc1C[NH+]1CCN(c2ccccc2)CC1	ZINC000096191565	553727520	/nfs/dbraw/zinc/72/75/20/553727520.db2.gz	CSBNVQWANMPBJZ-UHFFFAOYSA-N	2	2	521.503	4.799	50	10		KJCALP
COc1ccc(N2CC[NH+](CCCNC(=O)C3CCN(c4[nH+]c5ccccc5n4Cc4cccc(F)c4)CC3)CC2)cc1	ZINC000101557664	554797198	/nfs/dbraw/zinc/79/71/98/554797198.db2.gz	AIKFXOHNSMFJKQ-UHFFFAOYSA-N	2	2	584.740	4.777	50	10		KJCALP
C[NH+]1CCN(c2ccc(C3(C4(c5ccc(N6CC[NH+](C)CC6)cc5)C(=O)c5ccccc5C4=O)C(=O)c4ccccc4C3=O)cc2)CC1	ZINC000150462624	571506731	/nfs/dbraw/zinc/50/67/31/571506731.db2.gz	LDMBUEZWZJOCDU-UHFFFAOYSA-N	2	2	638.768	4.524	50	10		KJCALP
Oc1c(I)cc(I)cc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1	ZINC000252550328	572263309	/nfs/dbraw/zinc/26/33/09/572263309.db2.gz	SJFGFJFOIAJCTO-UHFFFAOYSA-N	2	2	562.233	4.603	50	10		KJCALP